Chemical Properties of L-Valine, N-(2-trifluoromethylbenzoyl)-, heptyl ester

L-Valine, N-(2-trifluoromethylbenzoyl)-, heptyl ester

InChI
InChI=1S/C20H28F3NO3/c1-4-5-6-7-10-13-27-19(26)17(14(2)3)24-18(25)15-11-8-9-12-16(15)20(21,22)23/h8-9,11-12,14,17H,4-7,10,13H2,1-3H3,(H,24,25)
InChI Key
ZRQHMBVDEXIITO-UHFFFAOYSA-N
Formula
C20H28F3NO3
SMILES
CCCCCCCOC(=O)C(NC(=O)c1ccccc1C(F)(F)F)C(C)C
Molecular Weight1
387.44
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Physical Properties

Property Value Unit Source
ΔfH°gas -1301.13 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 47.05 kJ/mol Joback Calculated Property
ΔvapH° 95.65 kJ/mol Relay (1.0) Calculated Property
log10WS -5.54 Relay (1.0) Calculated Property
logPoct/wat 4.973 Crippen Calculated Property
McVol 293.200 ml/mol McGowan Calculated Property
Pc 1238.96 kPa Joback Calculated Property
Inp [2341.00; 2341.00]   Show Hide
Inp 2341.00 NIST
Inp 2341.00 NIST
Tboil 619.16 K Relay (1.0) Calculated Property
Tfus 357.12 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [431.00; 987.36] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.29040e+01
Coefficient B1.93186e+00
Coefficient C-1.19106e-03
Coefficient D2.59460e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 431.00 J/mol×K 273.00 Calculated Property
Cp,gas 532.96 J/mol×K 353.78 Calculated Property
Cp,gas 622.97 J/mol×K 434.56 Calculated Property
Cp,gas 701.85 J/mol×K 515.33 Calculated Property
Cp,gas 770.42 J/mol×K 596.11 Calculated Property
Cp,gas 829.50 J/mol×K 676.89 Calculated Property
Cp,gas 879.91 J/mol×K 757.67 Calculated Property
Cp,gas 922.48 J/mol×K 838.44 Calculated Property
Cp,gas 958.02 J/mol×K 919.22 Calculated Property
Cp,gas 987.36 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Valine, N-(2-trifluoromethylbenzoyl)-, tridecyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, octyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, undecyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, decyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, pentadecyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, dodecyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, nonyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, hexyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, pentyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, butyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, propyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, heptadecyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, decyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, pentadecyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, tetradecyl ester.

Find more compounds similar to L-Valine, N-(2-trifluoromethylbenzoyl)-, heptyl ester.

Sources

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